5-bromo-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]furan-2-carboxamide

C15H11BrN2O3 — CID 60729952

IUPAC5-bromo-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]furan-2-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)co1
InChIInChI=1S/C15H11BrN2O3/c1-9-17-12(8-20-9)10-2-4-11(5-3-10)18-15(19)13-6-7-14(16)21-13/h2-8H,1H3,(H,18,19)
InChIKeyQVVDKRHRPGJRBN-UHFFFAOYSA-N
MW347.17 g/mol
LogP4.26
Rot. Bonds3

About 5-bromo-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]furan-2-carboxamide

5-bromo-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]furan-2-carboxamide (PubChem CID 60729952) has the molecular formula C15H11BrN2O3 and a molecular weight of 347.17 g/mol. Its IUPAC name is 5-bromo-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]furan-2-carboxamide
PubChem CID60729952
Molecular FormulaC15H11BrN2O3
Molecular Weight347.17 g/mol
Exact Mass346.00
IUPAC Name5-bromo-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]furan-2-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)co1
InChIInChI=1S/C15H11BrN2O3/c1-9-17-12(8-20-9)10-2-4-11(5-3-10)18-15(19)13-6-7-14(16)21-13/h2-8H,1H3,(H,18,19)
InChIKeyQVVDKRHRPGJRBN-UHFFFAOYSA-N
XLogP4.26
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide
CID 114327857
5-bromo-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 1333568
5-bromo-N-(4-phenylphenyl)furan-2-carboxamide
CID 6624475
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
5-bromo-N-[4-(1-methylbenzimidazol-2-yl)phenyl]furan-2-carboxamide
CID 51135396
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
4-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-4-oxobutanoic acid
CID 60942171
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
5-bromo-N-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 29127725
5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide
CID 3111249
1-tert-butyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,2,4-triazole-3-carboxamide
CID 126816541
N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 37243915

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]furan-2-carboxamide (CID 60729952) is 5-bromo-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]furan-2-carboxamide is Cc1nc(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)co1.
What is the InChIKey of 5-bromo-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]furan-2-carboxamide?
The InChIKey is QVVDKRHRPGJRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O3/c1-9-17-12(8-20-9)10-2-4-11(5-3-10)18-15(19)13-6-7-14(16)21-13/h2-8H,1H3,(H,18,19).
What are the key properties of 5-bromo-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]furan-2-carboxamide?
5-bromo-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]furan-2-carboxamide has a molecular weight of 347.17 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 60729952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).